SCHEMBL25875908

SCHEMBL25875908

O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
KMT2A Q03164 1/20 0.69
HIF1A Q16665 6/20 0.59
EPAS1 Q99814 6/20 0.59
TNIK Q9UKE5 1/20 0.55
LMNA P02545 4/20 0.54
TP53 P04637 4/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 4/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
USP2 O75604 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21845769 0.89 JAK2 (0.60) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL25875907 0.89 NPC1 (0.57) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL25875892 0.85 CYP1A2 (0.64) ALDH1A1
SCHEMBL21845746 0.84 IKBKB (0.56) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL25875911 0.83 CYP1A2 (0.56) ALDH1A1POLBSMN1; SMN2
SCHEMBL25875896 0.82 DRD4 (0.66) MAPK1
SCHEMBL25875889 0.80 JAK2 (0.55) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL25875929 0.79 JAK2 (0.49) NPC1RAB9AKMT2A
SCHEMBL13683480 0.78 NPC1 (0.59) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL25875972 0.78 IKBKB (0.48) NPC1RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 NPC1 3861/4885RAB9A 992/4885KMT2A 2034/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.